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PUBCHEM-ZINC02982291

 MMsINC code: MMs02973787
Type: Neutral
Formula: C13H10Cl2O4S
SMILES:   Clc1cc(S(Oc2ccc(Cl)cc2)(=O)=O)c(OC)cc1
InChI:   InChI=1/C13H10Cl2O4S/c1-18-12-7-4-10(15)8-13(12)20(16,17)19-11-5-2-9(14)3-6-11/h2-8H,1H3

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Potential Energy
Epot(MMFF94)=73.3672 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 333.191 g/mol  logS: -5.00117  SlogP: 3.7697  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.225373  Sterimol/B1: 2.57443  Sterimol/B2: 3.96161  Sterimol/B3: 5.80245
  Sterimol/B4: 8.40672  Sterimol/L: 12.3333 
 
 Surface and Volume Properties
  Accessible surface: 497.094  Positive charged surface: 205.084  Negative charged surface: 292.011  Volume: 261.25
  Hydrophobic surface: 428.263  Hydrophilic surface: 68.831
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.